2-amino-N-(2-hydroxy-2-naphthalen-2-ylethyl)-3-methoxypropanamide

C16H20N2O3 — CID 120989475

IUPAC2-amino-N-(2-hydroxy-2-naphthalen-2-ylethyl)-3-methoxypropanamide
SMILESCOCC(N)C(=O)NCC(O)c1ccc2ccccc2c1
InChIInChI=1S/C16H20N2O3/c1-21-10-14(17)16(20)18-9-15(19)13-7-6-11-4-2-3-5-12(11)8-13/h2-8,14-15,19H,9-10,17H2,1H3,(H,18,20)
InChIKeyGKFVZAWCPZJXFJ-UHFFFAOYSA-N
MW288.35 g/mol
LogP0.96
Rot. Bonds6

About 2-amino-N-(2-hydroxy-2-naphthalen-2-ylethyl)-3-methoxypropanamide

2-amino-N-(2-hydroxy-2-naphthalen-2-ylethyl)-3-methoxypropanamide (PubChem CID 120989475) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-amino-N-(2-hydroxy-2-naphthalen-2-ylethyl)-3-methoxypropanamide.

Molecular Properties

Compound Name2-amino-N-(2-hydroxy-2-naphthalen-2-ylethyl)-3-methoxypropanamide
PubChem CID120989475
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name2-amino-N-(2-hydroxy-2-naphthalen-2-ylethyl)-3-methoxypropanamide
SMILESCOCC(N)C(=O)NCC(O)c1ccc2ccccc2c1
InChIInChI=1S/C16H20N2O3/c1-21-10-14(17)16(20)18-9-15(19)13-7-6-11-4-2-3-5-12(11)8-13/h2-8,14-15,19H,9-10,17H2,1H3,(H,18,20)
InChIKeyGKFVZAWCPZJXFJ-UHFFFAOYSA-N
XLogP0.96
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxy-2-naphthalen-2-ylethyl)-2-methylpropanamide
CID 111112159
N-(2-hydroxy-2-naphthalen-2-ylethyl)-3-methoxypropanamide
CID 111112240
1-[(2R)-2-hydroxy-2-naphthalen-2-ylethyl]-3-[(2S)-4-methoxybutan-2-yl]urea
CID 95190317
(2R)-2-ethoxy-N-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]butanamide
CID 97227615
2-(2-methoxyethoxyamino)-1-naphthalen-2-ylethanol
CID 82723004
2-amino-3-methoxy-N-(2-phenylpropyl)propanamide
CID 81089279
N-[(2R)-2-hydroxy-2-naphthalen-2-ylethyl]-2-(2-methoxyphenyl)acetamide
CID 95618412
N-(2-hydroxy-2-naphthalen-2-ylethyl)-2-(4-methoxyphenyl)acetamide
CID 56785818
N-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]-2-(4-methoxyphenyl)acetamide
CID 95618415
2-(dimethylamino)-N-(2-hydroxy-2-naphthalen-2-ylethyl)-3-methylbutanamide
CID 111112176
2-(2-methoxyethylamino)-1-naphthalen-2-ylethanol
CID 60903871
4-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]-1-methoxybutan-2-ol
CID 106246545

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-hydroxy-2-naphthalen-2-ylethyl)-3-methoxypropanamide?
The IUPAC name of 2-amino-N-(2-hydroxy-2-naphthalen-2-ylethyl)-3-methoxypropanamide (CID 120989475) is 2-amino-N-(2-hydroxy-2-naphthalen-2-ylethyl)-3-methoxypropanamide.
What is the SMILES notation for 2-amino-N-(2-hydroxy-2-naphthalen-2-ylethyl)-3-methoxypropanamide?
The canonical SMILES for 2-amino-N-(2-hydroxy-2-naphthalen-2-ylethyl)-3-methoxypropanamide is COCC(N)C(=O)NCC(O)c1ccc2ccccc2c1.
What is the InChIKey of 2-amino-N-(2-hydroxy-2-naphthalen-2-ylethyl)-3-methoxypropanamide?
The InChIKey is GKFVZAWCPZJXFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-21-10-14(17)16(20)18-9-15(19)13-7-6-11-4-2-3-5-12(11)8-13/h2-8,14-15,19H,9-10,17H2,1H3,(H,18,20).
What are the key properties of 2-amino-N-(2-hydroxy-2-naphthalen-2-ylethyl)-3-methoxypropanamide?
2-amino-N-(2-hydroxy-2-naphthalen-2-ylethyl)-3-methoxypropanamide has a molecular weight of 288.35 g/mol, XLogP of 0.96, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-hydroxy-2-naphthalen-2-ylethyl)-3-methoxypropanamide is sourced from PubChem (CID 120989475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).